SCHEMBL309769

SCHEMBL309769

NCCCc1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
HRH1 P35367 2/20 0.45
HTR2A P28223 3/20 0.43
CYP2A6 P11509 3/20 0.42
AKT2 P31751 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ESR1 P03372 1/20 0.37
CYP19A1 P11511 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3581333 0.93 MAOA (0.60) MAOAHRH1HTR2ACYP2A6TAAR1
SCHEMBL3593094 0.91 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1
SCHEMBL27478848 0.91 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1
SCHEMBL758587 0.84
SCHEMBL11803736 0.84 MAOA (0.40) MAOAHRH1HTR2ASIGMAR1ESR1
SCHEMBL28209200 0.82 TAAR1 (0.52) HTR2ACYP2A6TAAR1SMN1; SMN2LOXL2
SCHEMBL11690401 0.81 SIGMAR1 (0.41) MAOAHRH1HTR2ASIGMAR1ESR1
SCHEMBL3678682 0.81 MAOA (0.62) MAOAHRH1HTR2ACYP2A6AKT2
SCHEMBL16913071 0.81 SIGMAR1 (0.52) SIGMAR1
SCHEMBL1031911 0.80 MAOA (0.34) MAOAHRH1HTR2ATAAR1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 859 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024031596-A1 COMPOSITION FOR TREATING KERATIN FIBERS L'OREAL (FR) 2024-02-15 WO claimed
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS ARIVA MED GMBH (AT) 2023-06-08 US claimed
EP-4188316-A1 HAIR COSMETIC COMPOSITIONS FOR PRESERVING OR MAINTAINING THE STYLE OR SHAPE OF HAIR L'OREAL (FR) 2023-06-07 EP claimed
EP-4135683-A1 THERAPEUTIC USE OF PLEUROMUTILINS Nabriva Therapeutics GMBH (AT) 2023-02-22 EP claimed
CN-115413238-A Therapeutic use of pleuromutilin compounds 纳布里瓦治疗有限责任公司 2022-11-29 CN claimed
WO-2022146720-A1 COSMETIC AND PERSONAL CARE COMPOSITIONS CONTAINING CATIONIC SURFACTANTS AND ANIONIC COMPOUNDS L'OREAL (FR) 2022-07-07 WO claimed
CN-114685968-A Damp-heat-resistant polycarbonate composition and preparation method and application thereof 金发科技股份有限公司 2022-07-01 CN claimed
US-20220202674-A1 COSMETIC AND PERSONAL CARE COMPOSITIONS CONTAINING CATIONIC SURFACTANTS AND ANIONIC COMPOUNDS L'OREAL (FR) 2022-06-30 US claimed
US-20220202686-A1 COSMETIC AND PERSONAL CARE COMPOSITIONS CONTAINING CATIONIC SURFACTANTS AND ANIONIC COMPOUNDS L'OREAL (FR) 2022-06-30 US claimed
US-20220031589-A1 HAIR COSMETIC COMPOSITIONS CONTAINING CATIONIC COMPOUNDS, ACRYLATE-BASED POLYMERS, FATTY COMPOUNDS, AND AMINOFUNCTIONALIZED SILICONES L'OREAL (FR) 2022-02-03 US claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
CN-1281362-A Novel combination medicine ASTRA ZENECA BRITISH CO LTD (GB) 2001-01-24 CN claimed
EP-1027052-A1 NOVEL COMBINATION AstraZeneca UK Limited (GB) 2000-08-16 EP claimed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US claimed
US-6046191-A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS ASTRA PHARMACEUTICALS LTD. (GB) 2000-04-04 US claimed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN claimed
WO-1999018960-A1 NOVEL COMBINATION ASTRAZENECA UK LIMITED (GB) 1999-04-22 WO claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220202686-A1 COSMETIC AND PERSONAL CARE COMPOSITIONS CONTAINING CATIONIC SURFACTANTS AND ANIONIC COMPOUNDS CUTA, SGMS1, PHOSPHO1 MAOA 2918/4885HRH1 663/4885HTR2A 2328/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 MAOA 1581/4885HRH1 17/4885HTR2A 937/4885
US-20220031589-A1 HAIR COSMETIC COMPOSITIONS CONTAINING CATIONIC COMPOUNDS, ACRYLATE-BASED POLYMERS, FATTY COMPOUNDS, AND AMINOFUNCTIONALIZED SILICONES SGMS1, PHOSPHO1, SGMS2 MAOA 2115/4885HRH1 948/4885HTR2A 1847/4885
US-20220202674-A1 COSMETIC AND PERSONAL CARE COMPOSITIONS CONTAINING CATIONIC SURFACTANTS AND ANIONIC COMPOUNDS SGMS1, MITF, SGMS2 MAOA 3519/4885HRH1 1397/4885HTR2A 3515/4885
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS MLN, PLEC, PELP1 MAOA 1431/4885HRH1 2940/4885HTR2A 1669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.